bis(chloropalladium(1+));2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-yloxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-ylpyridine

C28H22Cl2N8OPd2 — CID 160792188

About bis(chloropalladium(1+));2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-yloxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-ylpyridine

bis(chloropalladium(1+));2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-yloxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-ylpyridine (PubChem CID 160792188) has the molecular formula C28H22Cl2N8OPd2 and a molecular weight of 770.29 g/mol. Its IUPAC name is bis(chloropalladium(1+));2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-yloxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-ylpyridine.

Molecular Properties

• Compound Name: bis(chloropalladium(1+));2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-yloxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-ylpyridine
• PubChem CID: 160792188
• Molecular Formula: C28H22Cl2N8OPd2
• Molecular Weight: 770.29 g/mol
• Exact Mass: 767.94
• IUPAC Name: bis(chloropalladium(1+));2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-yloxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-ylpyridine
• SMILES: Cc1cc(-c2cccc(-c3ccccn3)n2)[n-]n1.Cc1cc(-c2cccc(Oc3ccccn3)n2)[n-]n1.Cl[Pd+].Cl[Pd+]
• InChI: InChI=1S/C14H11N4O.C14H11N4.2ClH.2Pd/c1-10-9-12(18-17-10)11-5-4-7-14(16-11)19-13-6-2-3-8-15-13;1-10-9-14(18-17-10)13-7-4-6-12(16-13)11-5-2-3-8-15-11;;;;/h2-9H,1H3;2-9H,1H3;2*1H;;/q2*-1;;;2*+2/p-2
• InChIKey: SBYYMJVKBNMZMO-UHFFFAOYSA-L
• XLogP: 6.44
• TPSA: 114.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.29
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of bis(chloropalladium(1+));2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-yloxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-ylpyridine?

The IUPAC name of bis(chloropalladium(1+));2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-yloxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-ylpyridine (CID 160792188) is bis(chloropalladium(1+));2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-yloxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-ylpyridine.

What is the SMILES notation for bis(chloropalladium(1+));2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-yloxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-ylpyridine?

The canonical SMILES for bis(chloropalladium(1+));2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-yloxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-ylpyridine is Cc1cc(-c2cccc(-c3ccccn3)n2)[n-]n1.Cc1cc(-c2cccc(Oc3ccccn3)n2)[n-]n1.Cl[Pd+].Cl[Pd+].

What is the InChIKey of bis(chloropalladium(1+));2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-yloxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-ylpyridine?

The InChIKey is SBYYMJVKBNMZMO-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H11N4O.C14H11N4.2ClH.2Pd/c1-10-9-12(18-17-10)11-5-4-7-14(16-11)19-13-6-2-3-8-15-13;1-10-9-14(18-17-10)13-7-4-6-12(16-13)11-5-2-3-8-15-11;;;;/h2-9H,1H3;2-9H,1H3;2*1H;;/q2*-1;;;2*+2/p-2.

What are the key properties of bis(chloropalladium(1+));2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-yloxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-ylpyridine?

bis(chloropalladium(1+));2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-yloxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-ylpyridine has a molecular weight of 770.29 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis(chloropalladium(1+));2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-yloxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-pyridin-2-ylpyridine is sourced from PubChem (CID 160792188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).